1-ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene

C10H15N — CID 123975793

IUPAC1-ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCCC12CC1C=C(C)C(C)=N2
InChIInChI=1S/C10H15N/c1-4-10-6-9(10)5-7(2)8(3)11-10/h5,9H,4,6H2,1-3H3
InChIKeyRVOCJWHUOJRAQI-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.58
Rot. Bonds1

About 1-ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene

1-ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 123975793) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name1-ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene
PubChem CID123975793
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCCC12CC1C=C(C)C(C)=N2
InChIInChI=1S/C10H15N/c1-4-10-6-9(10)5-7(2)8(3)11-10/h5,9H,4,6H2,1-3H3
InChIKeyRVOCJWHUOJRAQI-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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6-Cyclopropyl-4-methyl-2,3-dihydropyridine
CID 123181437
1a-Methyl-1,3,4,5,6,7a-hexahydrocyclopropa[b]quinoline
CID 144372735
2,6-dimethyl-2,5-di(propan-2-yl)-3H-pyridine
CID 155036257
4,5-dimethyl-2-[(E)-pent-1-enyl]-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 163943197
4-Methyl-2-propan-2-yl-3-azabicyclo[4.1.0]hepta-1(7),2,4-triene
CID 169582406
2,6-dimethyl-5-(2-methylpropyl)-2-propan-2-yl-3H-pyridine
CID 170193884
9-Methyl-2-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene
CID 143539678

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 1-ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene (CID 123975793) is 1-ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 1-ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 1-ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene is CCC12CC1C=C(C)C(C)=N2.
What is the InChIKey of 1-ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is RVOCJWHUOJRAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-4-10-6-9(10)5-7(2)8(3)11-10/h5,9H,4,6H2,1-3H3.
What are the key properties of 1-ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene?
1-ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 149.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4-dimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 123975793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).